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2-Phenyl-2-[3-(phenylsulfonyl)-2-cyclohexenyl]-1,3-dithiane
SpectraBase Compound ID BwSZjZgWVxb
InChI InChI=1S/C22H24O2S3/c23-27(24,20-12-5-2-6-13-20)21-14-7-11-19(17-21)22(25-15-8-16-26-22)18-9-3-1-4-10-18/h1-6,9-10,12-13,17,19H,7-8,11,14-16H2
InChIKey NUCOUIYJVIJZFV-UHFFFAOYSA-N
Mol Weight 416.61 g/mol
Molecular Formula C22H24O2S3
Exact Mass 416.093844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vc2xti4nL2
Name 2-Phenyl-2-[3-(phenylsulfonyl)-2-cyclohexenyl]-1,3-dithiane
Alternate Name(s) 2-Phenyl-2-[3-(phenylsulfonyl)-2-cyclohexen-1-yl]-1,3-dithiane phenyl 3-(2-phenyl-1,3-dithian-2-yl)-1-cyclohexen-1-yl sulfone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O2S3
InChI InChI=1S/C22H24O2S3/c23-27(24,20-12-5-2-6-13-20)21-14-7-11-19(17-21)22(25-15-8-16-26-22)18-9-3-1-4-10-18/h1-6,9-10,12-13,17,19H,7-8,11,14-16H2
InChIKey NUCOUIYJVIJZFV-UHFFFAOYSA-N
Molecular Weight 416.612 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)=CC(C2(SCCCS2)c2ccccc2)CCC1
SPLASH splash10-0002-0900000000-bf1f92119287464f05fb
Source of Spectrum AG-555-227-0
Wiley ID 1376291